SCHEMBL20116169

SCHEMBL20116169

CC1(CC(=O)N2CCN(c3noc(-c4ccc5cnn(C6COC6)c5c4)n3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.35
FASN P49327 1/20 0.34
SCD5 Q86SK9 1/20 0.33
USP30 Q70CQ3 1/20 0.32
S1PR3 Q99500 1/20 0.32
PIK3CD O00329 2/20 0.32
NAMPT P43490 2/20 0.32
HDAC8 Q9BY41 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20116162 0.89 TBK1 (0.37) S1PR1SCD5USP30PIK3CDHDAC8
SCHEMBL20116227 0.88 MAPT (0.40) FASN
SCHEMBL20116381 0.86 USP30 (0.38) SCD5USP30PIK3CD
SCHEMBL20117088 0.86 TBK1 (0.35) S1PR1SCD5USP30PIK3CDHDAC8
SCHEMBL20116161 0.86 TBK1 (0.39) S1PR1USP30PIK3CD
SCHEMBL20116327 0.85 S1PR1 (0.35) S1PR1FASNS1PR3PIK3CD
SCHEMBL20676284 0.85 FASN (0.34) FASNPIK3CDNAMPTWNT1GSK3B
SCHEMBL20116074 0.85 PIK3CA (0.37) S1PR1
SCHEMBL20676342 0.84 FASN (0.35) S1PR1FASNSCD5PIK3CD
SCHEMBL20116183 0.84 S1PR1 (0.43) S1PR1S1PR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 S1PR1 2213/4885FASN 2208/4885SCD5 1575/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 S1PR1 2213/4885FASN 2208/4885SCD5 1575/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.